The idea for Mystère started around 1990. It was originally planned for Caesars Palace with a theme based on Greek and Roman mythology. The plan, however, was scrapped by the casino executives, who thought the project would be too financially risky. Mystère was very different from the typical material they were used to in a Las Vegas show. According to Mystèreset designer Michel Crête, "Vegas... was still very influenced by Folies Bergère, with the scarves, feather boas, etc. There was a European culture already in place, oddly enough, not an American one. The people who opened the door for something new were Siegfried and Roy. They were the first to move away from the Folies Bergère thing."

Treasure Island picked up the show three years later. Mystère was their first show that would have its own theater, rather than touring with a circus tent. Mystère would have a permanent base in Las Vegas. They worked with Mirage Casino-Hotel to produce a show.

The theater is a unique theater built in the Treasure Island Hotel and Casino specifically for the show. The design of the theater was created by Michel Crête and that of Montreal based team of Scéno Plus. This theater seats 1,541 audiences. The stage measures 120 feet by 70 feet deep and covers approximately 10,032 square feet. The stage floor is made of a layer of Base Mat, which is rubber made from recycled old tires and sneakers. This helps give the stage some bounce for tumbling. This is held together by polyurethane adhesive and covered with thousands of gallons of liquid that dries onto the surface. The Downstage D Lift is 36 feet in diameter and includes a 28 foot revolving stage. The revolving stage rotates up to 10 revolutions per minute. Props, equipment, and performers are elevated to stage level from the basement or trap by four moving lifts. These moving lifts were constructed in Montreal and then assembled in Las Vegas, NV.[10]

The snail seen growing larger throughout the show is called Alice. By the end of the show, she is a giant inflatable puppet controlled by four puppeteers from the inside. The puppeteers move her around by following markings on the floor, since they can not see outside the puppet. They also control her eyes, torso, and tail.[11]

The taiko drums in Mystère are created by the Japanese company Asano Taiko, located in Mattō, Ishikawa Prefecture. The largest drum in Mystère is the ōdaiko, which is 6 feet (1.8 m) in diameter and 15 feet (4.6 m) in length, and weighs half a ton. Due to the large size of the drum, it had to be brought into the theatre during construction. Since the completion of the theatre the drum can not be removed, as no door is large enough to accommodate it.[12]

Aerial high bar: Created and implemented by coach Andrei Lev and choreographer Pavel Brun, a group of acrobats fly and spin on an apparatus 40 feet above the stage.

Taiko: A group of artists perform powerful rhythms on Japanese taiko drums.

Aerial tissu: The solo tissu act, created by aerial artist Ginger Ana Griep-Ruiz, features flips, spins and displays of flexibility on a vertical strip of fabric suspended above the stage. Griep-Ruiz devised a system to give the appearance that the fabric never ends, allowing her to do continuous tricks without having to stop to reposition herself on the material.

Flying trapeze: Completing more than a dozen tricks in little more than six minutes, the Catchers have a particularly difficult job as they spend the majority of the performance upside down with little break in between.

Dominique Lemieux took inspiration from nature to create the colorful costumes of Mystère. One such costume is the Firebird, which has red feathers and accents that give the impression of embers flying through the air. The odd-looking Spermatos and Spermatites are dressed in elongated costumes which bulge in the center and have a tendril-like feature on the head. To give the characters an organic nature, spandex/lycra was used in conjunction with fringes and borders.[16]

The original score of Mystère was composed by René Dupéré, who had composed all of Cirque du Soleil's earlier shows, including Nouvelle Expérience and Saltimbanco. In 1994 the show's music was released as a studio album featuring the vocals of Canadian singers Élise Gouin (now known as Élise Velle) and Nathalie Gauvin.

In 1995 the show underwent an artistic overhaul, including changes in the lineup of acts. The "manipulation" act was replaced by the "aerial cube", the flying trapeze act by the aerial high bars, and the "Filet" number was excluded from the show. At the same time the musical score was renovated with assistance from Benoît Jutras, a longtime music director and arranger for Cirque who later went on to compose for Quidam and other Cirque shows. The result, captured in the album Mystère: Live in Las Vegas, was a score that reflects the diverse compositional styles of both composers. Mystère: Live in Las Vegas is a live, in-house recording of the new score, featuring Nathalie Gauvin and Wendy Talley on vocals; the album was released on November 12, 1996. After the release of the live album, the music was rearranged and altered once again. While the album resembles the current live music closely, it is not identical.

Below is a list of tracks as featured on the 1996 live recording release, alongside which the current acts to which they accompany are listed.